2-chloro-3,3,3-trifluoroprop-1-ene

• ChemBase ID: 7271
• Molecular Formular: C3H2ClF3
• Molecular Mass: 130.4961896
• Monoisotopic Mass: 129.9797124
• SMILES: ClC(=C)C(F)(F)F
• Canonical SMILES: ClC(=C)C(F)(F)F
• InChI: InChI=1S/C3H2ClF3/c1-2(4)3(5,6)7/h1H2
• InChIKey: OQISUJXQFPPARX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,3,3-trifluoroprop-1-ene
• IUPAC Traditional name: 2-chloro-3,3,3-trifluoroprop-1-ene
• Synonyms: 2-Chloro-3,3,3-trifluoroprop-1-ene 98%; 2-Chloro-3,3,3-trifluoropropene

Database IDs

• CAS Number: 2730-62-3
• MDL Number: MFCD00082613
• PubChem SID: 160970578
• PubChem CID: 2736716

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.094634
• LogD (pH = 7.4): 2.094634
• Log P: 2.094634
• Molar Refractivity: 21.298 cm^3
• Polarizability: 7.6606107 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 14-15°C; 15°C
• Flash Point: none°C

Safety Information

• Storage Warning: GAS; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC0682

Cylinder - 1/4" NPT connection.